1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-4-phenyl-isonipecotonitrile Formula: C26H26FN7O2 MolecularWeight: 487.528743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5F)[N+](=O)[O-]

InChI

InChI=1S/C26H26FN7O2/c27-21-8-4-5-9-22(21)31-14-16-33(17-15-31)25-23(34(35)36)24(29-19-30-25)32-12-10-26(18-28,11-13-32)20-6-2-1-3-7-20/h1-9,19H,10-17H2